CID 36713

34197-10-9

Structural Information

Molecular Formula
C19H21Cl3O2
SMILES
CCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
InChI
InChI=1S/C19H21Cl3O2/c1-3-4-13-24-17-11-7-15(8-12-17)18(19(20,21)22)14-5-9-16(23-2)10-6-14/h5-12,18H,3-4,13H2,1-2H3
InChIKey
GCBNPENAGNGTLQ-UHFFFAOYSA-N
Compound name
1-butoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0607 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06798 186.2
[M+Na]+ 409.04992 193.9
[M-H]- 385.05342 190.6
[M+NH4]+ 404.09452 199.5
[M+K]+ 425.02386 187.0
[M+H-H2O]+ 369.05796 180.2
[M+HCOO]- 431.05890 191.8
[M+CH3COO]- 445.07455 216.2
[M+Na-2H]- 407.03537 187.5
[M]+ 386.06015 193.3
[M]- 386.06125 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.